SCHEMBL1925757

SCHEMBL1925757

C=Cc1cc(-c2c(Cl)ccc3[nH]nnc23)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
ALOX5 P09917 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2356488 0.84 HSP90AA1 (0.41) PTGS2ALOX5
SCHEMBL29733675 0.84 HSP90AA1 (0.41) PTGS2ALOX5
SCHEMBL170449 0.84 SMN1; SMN2 (0.41) PTGS1PTGS2
SCHEMBL29470088 0.84 HSP90AA1 (0.41) PTGS2ALOX5
SCHEMBL29757181 0.84 SMN1; SMN2 (0.41) PTGS1PTGS2
SCHEMBL29429258 0.84 SMN1; SMN2 (0.41) PTGS1PTGS2
SCHEMBL28203169 0.81 TP53 (0.31)
SCHEMBL27880219 0.80 TP53 (0.33)
SCHEMBL6551244 0.79 CA2 (0.40)
SCHEMBL28480882 0.76 AMY1A (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328953-A1 SILICON CONTAINING POLYMERIC MATERIALS Advanced Medical Optics, Inc. (US) 2011-06-08 EP disclosed